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CAS No.: | 41264-06-6 |
---|---|
Name: | Methyl isodehydroacetate |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H10O4 |
Molecular Weight: | 182.176 |
Synonyms: | Isodehydroaceticacid methyl ester;Methyl 4,6-dimethyl-2-pyrone-5-carboxylate; |
EINECS: | 255-283-5 |
Density: | 1.197 g/cm3 |
Melting Point: | 68-70 °C(lit.) |
Boiling Point: | 300.268 °C at 760 mmHg |
Flash Point: | 139.317 °C |
Appearance: | White needle-like crystals or crystalline powder |
Safety: | 24/25 |
PSA: | 56.51000 |
LogP: | 1.04320 |
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Product Name: Methyl isodehydroacetate (CAS NO.41264-06-6)
Molecular Formula: C9H10O4
Molecular Weight: 182.17g/mol
Mol File: 41264-06-6.mol
EINECS: 255-283-5
Appearance: 68-70 °C(lit.)
Boiling point: 300.3 °C at 760 mmHg
Flash Point: 139.3 °C
Density: 1.197 g/cm3
Index of Refraction: 1.494 Molar Refractivity: 44.35 cm3
Molar Volume: 152.1 cm3
Surface Tension: 37.2 dyne/cm
Enthalpy of Vaporization: 54.03 kJ/mol
Vapour Pressure: 0.00113 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Methyl isodehydroacetate (CAS NO.41264-06-6):
IUPAC Name: methyl 2,4-dimethyl-6-oxopyran-3-carboxylate
Canonical SMILES: CC1=CC(=O)OC(=C1C(=O)OC)C
InChI: InChI=1S/C9H10O4/c1-5-4-7(10)13-6(2)8(5)9(11)12-3/h4H,1-3H3
InChIKey: VLYBFLKIZIACQH-UHFFFAOYSA-N
Product Categories: Acetics acid and esters
Safety Information of Methyl isodehydroacetate (CAS NO.41264-06-6):
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Methyl isodehydroacetate , its CAS NO. is 41264-06-6, the synonym is 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester ; Methyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate .